tert-butyl 2-phenylprop-2-enoate;carbamic acid

C14H19NO4 — CID 174820480

IUPACtert-butyl 2-phenylprop-2-enoate;carbamic acid
SMILESC=C(C(=O)OC(C)(C)C)c1ccccc1.NC(=O)O
InChIInChI=1S/C13H16O2.CH3NO2/c1-10(11-8-6-5-7-9-11)12(14)15-13(2,3)4;2-1(3)4/h5-9H,1H2,2-4H3;2H2,(H,3,4)
InChIKeyRPSNJIJTEZKESI-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.66
Rot. Bonds2

About tert-butyl 2-phenylprop-2-enoate;carbamic acid

tert-butyl 2-phenylprop-2-enoate;carbamic acid (PubChem CID 174820480) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl 2-phenylprop-2-enoate;carbamic acid.

Molecular Properties

Compound Nametert-butyl 2-phenylprop-2-enoate;carbamic acid
PubChem CID174820480
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl 2-phenylprop-2-enoate;carbamic acid
SMILESC=C(C(=O)OC(C)(C)C)c1ccccc1.NC(=O)O
InChIInChI=1S/C13H16O2.CH3NO2/c1-10(11-8-6-5-7-9-11)12(14)15-13(2,3)4;2-1(3)4/h5-9H,1H2,2-4H3;2H2,(H,3,4)
InChIKeyRPSNJIJTEZKESI-UHFFFAOYSA-N
XLogP2.66
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (E)-2,3-diamino-3-phenylprop-2-enoate
CID 19795969
tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate
CID 164510966
CID 162139404
CID 162139404
hydroxymethyl 2-phenylprop-2-enoate
CID 174271126
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
1,1,2,2,3,3,3-heptafluoropropyl 2-phenylprop-2-enoate
CID 140592112
tert-butyl 2-thiophen-3-ylprop-2-enoate
CID 139626969
tert-butyl 2-pyrimidin-5-ylprop-2-enoate
CID 56974491
(Z)-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxo-2-phenylprop-1-en-1-olate
CID 134125128
tert-butyl 2-(benzhydrylideneamino)-2-oxoacetate
CID 11088166
tert-butyl N-(1-phenylethenyl)carbamate
CID 24881759
benzoic acid;tert-butyl acetate
CID 143820890

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenylprop-2-enoate;carbamic acid?
The IUPAC name of tert-butyl 2-phenylprop-2-enoate;carbamic acid (CID 174820480) is tert-butyl 2-phenylprop-2-enoate;carbamic acid.
What is the SMILES notation for tert-butyl 2-phenylprop-2-enoate;carbamic acid?
The canonical SMILES for tert-butyl 2-phenylprop-2-enoate;carbamic acid is C=C(C(=O)OC(C)(C)C)c1ccccc1.NC(=O)O.
What is the InChIKey of tert-butyl 2-phenylprop-2-enoate;carbamic acid?
The InChIKey is RPSNJIJTEZKESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.CH3NO2/c1-10(11-8-6-5-7-9-11)12(14)15-13(2,3)4;2-1(3)4/h5-9H,1H2,2-4H3;2H2,(H,3,4).
What are the key properties of tert-butyl 2-phenylprop-2-enoate;carbamic acid?
tert-butyl 2-phenylprop-2-enoate;carbamic acid has a molecular weight of 265.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenylprop-2-enoate;carbamic acid is sourced from PubChem (CID 174820480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).